Vitas-M small molecule compound
3-{7-[(3,4-dichlorobenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}propanoic acid
Catalog ID
STL463395
SMILES OC(=O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1ccc(c(c1)Cl)Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H18Cl2O5 MW 421.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl2O5/c1-11-14-4-7-18(27-10-13-3-6-16(22)17(23)9-13)12(2)20(14)28-21(26)15(11)5-8-19(24)25/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,24,25)InChIKey
PKOWHHVCTXWLDO-UHFFFAOYSA-NSynonyms
858744-70-43(7((34dichlorobenzyl)oxy)48dimethyl2oxo2Hchromen3yl)propanoicacid
3(7((34DICHLOROPHENYL)METHOXY)48DIMETHYL2OXOCHROMEN3YL)PROPANOICACID
858744704
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC(=C(C=C3)Cl)Cl)CCC(=O)O
InChI=1SC21H18Cl2O5c111144718(2710133616(22)17(23)913)12(2)20(14)2821(26)15(11)5819(24)25h34679H5810H212H3(H2425)
MFCD03851493
ZINC000002149345
ZINC2149345
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